[4-(5-sulfamoylthiophen-2-yl)sulfonylphenyl] 3-(dimethylamino)-2,2-dimethyl-propanoate

Systemtic Name: [4-(5-sulfamoylthiophen-2-yl)sulfonylphenyl] 3-(dimethylamino)-2,2-dimethyl-propanoate Openeye Name: [4-[(5-sulfamoyl-2-thienyl)sulfonyl]phenyl] 3-(dimethylamino)-2,2-dimethyl-propanoate CAS Name: 3-(dimethylamino)-2,2-dimethylpropanoic acid [4-[(5-sulfamoyl-2-thiophenyl)sulfonyl]phenyl] ester IUPAC Name: [4-(5-sulfamoylthiophen-2-yl)sulfonylphenyl] 3-(dimethylamino)-2,2-dimethylpropanoate Traditional Name: 3-(dimethylamino)-2,2-dimethyl-propionic acid [4-[(5-sulfamoyl-2-thienyl)sulfonyl]phenyl] ester Formula: C17H22N2O6S3 MolecularWeight: 446.56138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN(C)C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(S2)S(=O)(=O)N

Isomeric SMILES

CC(C)(CN(C)C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(S2)S(=O)(=O)N

InChI

InChI=1S/C17H22N2O6S3/c1-17(2,11-19(3)4)16(20)25-12-5-7-13(8-6-12)27(21,22)14-9-10-15(26-14)28(18,23)24/h5-10H,11H2,1-4H3,(H2,18,23,24)